2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene

C12H11F3OS — CID 54574474

IUPAC2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene
SMILESCC1(C)Oc2ccccc2C=C1SC(F)(F)F
InChIInChI=1S/C12H11F3OS/c1-11(2)10(17-12(13,14)15)7-8-5-3-4-6-9(8)16-11/h3-7H,1-2H3
InChIKeyZZOZJENFPAGZLG-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.45
Rot. Bonds1

About 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene

2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene (PubChem CID 54574474) has the molecular formula C12H11F3OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene.

Molecular Properties

Compound Name2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene
PubChem CID54574474
Molecular FormulaC12H11F3OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene
SMILESCC1(C)Oc2ccccc2C=C1SC(F)(F)F
InChIInChI=1S/C12H11F3OS/c1-11(2)10(17-12(13,14)15)7-8-5-3-4-6-9(8)16-11/h3-7H,1-2H3
InChIKeyZZOZJENFPAGZLG-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide
CID 10220496
2,2-dimethyl-3'-[4-(trifluoromethyl)phenyl]spiro[1-benzofuran-3,2'-chromene]
CID 132991168
(2Z,4E)-5-(2,2-dimethylchromen-3-yl)-3-methylpenta-2,4-dienoic acid
CID 11448602
2-(2,2-dimethylpropylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098044
ethyl 3-hydroxy-2-methylchromene-2-carboxylate
CID 151498146
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774364
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
(2S)-2-(2-methoxyethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 99992703
1-(2-methoxy-2-methylchromen-3-yl)ethanone
CID 102125757
1a-phenyloxireno[2,3-b]chromene
CID 20536923
2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774404
2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol
CID 18755186

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene?
The IUPAC name of 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene (CID 54574474) is 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene.
What is the SMILES notation for 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene?
The canonical SMILES for 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene is CC1(C)Oc2ccccc2C=C1SC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene?
The InChIKey is ZZOZJENFPAGZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3OS/c1-11(2)10(17-12(13,14)15)7-8-5-3-4-6-9(8)16-11/h3-7H,1-2H3.
What are the key properties of 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene?
2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene has a molecular weight of 260.28 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene is sourced from PubChem (CID 54574474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).